HRID98679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cccc(CNC(=O)C(C)NC(=O)OC(C)(C)C)n1

HCID69300916

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cccc(CNC(=O)C(C)N)n1

HCID25216418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddb1f6b3413a49908b6c84a171558730
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][c:11]([C:34]([F:35])([F:36])[F:37])[n:12][n:13]2-[c:14]2[cH:15][cH:16][cH:17][c:18]([CH2:20][NH:21][C:22]([CH:23]([CH3:24])[NH:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[n:19]2)[cH:38][cH:39][cH:40][cH:41]1.[Cl:49][CH2:50][Cl:51].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][c:11]([C:34]([F:35])([F:36])[F:37])[n:12][n:13]2-[c:14]2[cH:15][cH:16][cH:17][c:18]([CH2:20][NH:21][C:22]([CH:23]([CH3:24])[NH2:25])=[O:33])[n:19]2)[cH:38][cH:39][cH:40][cH:41]1